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TargetCholinesterase
LigandBDBM50515462
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1861128 (CHEMBL4361984)
Ki 9.0±n/a nM
Citation Roldán-Peña, JMRomero-Real, VHicke, JMaya, IFranconetti, ALagunes, IPadrón, JMPetralla, SPoeta, ENaldi, MBartolini, MMonti, BBolognesi, MLLópez, ÓFernández-Bolaños, JG Tacrine-O-protected phenolics heterodimers as multitarget-directed ligands against Alzheimer's disease: Selective subnanomolar BuChE inhibitors. Eur J Med Chem181:0 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:Enzyme
Mol. Mass.:65643.35
Organism:Equus caballus (Horse)
Description:P81908
Residue:574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50515462
n/a
NameBDBM50515462
Synonyms:CHEMBL4589250
TypeSmall organic molecule
Emp. Form.C26H32N2O3
Mol. Mass.420.5439
SMILESOc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: